Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'IgA-specific serine endopeptidase autotransporter' and Ligand = 'BDBM50367756'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
IgA-specific serine endopeptidase autotransporter (Neisseria gonorrhoeae)	BDBM50367756 (CHEMBL2369562) Show SMILES C[C@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O Show InChI InChI=1S/C35H55N9O12S/c1-18(47)27(40-31(52)25-9-4-12-42(25)34(55)26-10-6-14-44(26)33(54)22(17-57)37-19(2)48)35(56)43-13-5-8-24(43)30(51)39-21(16-46)32(53)41-11-3-7-23(41)29(50)38-20(15-45)28(36)49/h18,20-27,45-47,57H,3-17H2,1-2H3,(H2,36,49)(H,37,48)(H,38,50)(H,39,51)(H,40,52)/t18-,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Curated by ChEMBL					Assay Description Tested for inhibitory activity against IgA1 proteinase				J Med Chem 31: 1647-51 (1988) BindingDB Entry DOI: 10.7270/Q2S46SKJ
					More data for this Ligand-Target Pair
IgA-specific serine endopeptidase autotransporter (Neisseria gonorrhoeae)	BDBM50367756 (CHEMBL2369562) Show SMILES C[C@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O Show InChI InChI=1S/C35H55N9O12S/c1-18(47)27(40-31(52)25-9-4-12-42(25)34(55)26-10-6-14-44(26)33(54)22(17-57)37-19(2)48)35(56)43-13-5-8-24(43)30(51)39-21(16-46)32(53)41-11-3-7-23(41)29(50)38-20(15-45)28(36)49/h18,20-27,45-47,57H,3-17H2,1-2H3,(H2,36,49)(H,37,48)(H,38,50)(H,39,51)(H,40,52)/t18-,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Curated by ChEMBL					Assay Description Tested for inhibitory activity against IgA1 proteinase				J Med Chem 31: 1647-51 (1988) BindingDB Entry DOI: 10.7270/Q2S46SKJ
					More data for this Ligand-Target Pair